4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine

C15H15ClN2O — CID 82345504

IUPAC4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine
SMILESNc1cccc2c1N(Cc1ccccc1Cl)CCO2
InChIInChI=1S/C15H15ClN2O/c16-12-5-2-1-4-11(12)10-18-8-9-19-14-7-3-6-13(17)15(14)18/h1-7H,8-10,17H2
InChIKeyMWQBYHZZPGJECO-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.32
Rot. Bonds2

About 4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine

4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine (PubChem CID 82345504) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine
PubChem CID82345504
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine
SMILESNc1cccc2c1N(Cc1ccccc1Cl)CCO2
InChIInChI=1S/C15H15ClN2O/c16-12-5-2-1-4-11(12)10-18-8-9-19-14-7-3-6-13(17)15(14)18/h1-7H,8-10,17H2
InChIKeyMWQBYHZZPGJECO-UHFFFAOYSA-N
XLogP3.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine (CID 82345504) is 4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine is Nc1cccc2c1N(Cc1ccccc1Cl)CCO2.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine?
The InChIKey is MWQBYHZZPGJECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-12-5-2-1-4-11(12)10-18-8-9-19-14-7-3-6-13(17)15(14)18/h1-7H,8-10,17H2.
What are the key properties of 4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine?
4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine has a molecular weight of 274.75 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-2,3-dihydro-1,4-benzoxazin-5-amine is sourced from PubChem (CID 82345504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).